![1-{2'-[2"-(2"'-Octahydro-7"',8"',8''-trimethyl-4''',7'''-methano-2"'-benzofuranyl)oxy]-3-propylamino)propoxy]phenyl]-3-phenyl-1-propanone](/api/spectrum/CnyTT7Ok3wS/structure.png?h=300&w=458 "1-{2'-[2\"-(2\"'-Octahydro-7\"',8\"',8''-trimethyl-4''',7'''-methano-2\"'-benzofuranyl)oxy]-3-propylamino)propoxy]phenyl]-3-phenyl-1-propanone")
| SpectraBase Compound ID | 2eXOfrx2eHo |
|---|---|
| InChI | InChI=1S/C33H45NO4/c1-5-19-34-21-24(37-30-20-26-27-17-18-33(4,31(26)38-30)32(27,2)3)22-36-29-14-10-9-13-25(29)28(35)16-15-23-11-7-6-8-12-23/h6-14,24,26-27,30-31,34H,5,15-22H2,1-4H3/t24?,26?,27-,30?,31?,33+/m1/s1 |
| InChIKey | UZVOCZIPZZGWIM-JEZBRQNJSA-N |
| Mol Weight | 519.7 g/mol |
| Molecular Formula | C33H45NO4 |
| Exact Mass | 519.334859 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CnyTT7Ok3wS |
|---|---|
| Name | 1-{2'-[2"-(2"'-Octahydro-7"',8"',8''-trimethyl-4''',7'''-methano-2"'-benzofuranyl)oxy]-3-propylamino)propoxy]phenyl]-3-phenyl-1-propanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H45NO4 |
| InChI | InChI=1S/C33H45NO4/c1-5-19-34-21-24(37-30-20-26-27-17-18-33(4,31(26)38-30)32(27,2)3)22-36-29-14-10-9-13-25(29)28(35)16-15-23-11-7-6-8-12-23/h6-14,24,26-27,30-31,34H,5,15-22H2,1-4H3/t24?,26?,27-,30?,31?,33+/m1/s1 |
| InChIKey | UZVOCZIPZZGWIM-JEZBRQNJSA-N |
| Molecular Weight | 519.726 g/mol |
| SMILES | N(CC(OC1OC2[C@]3(C([C@](CC3)(C2C1)[H])(C)C)C)COc1c(C(=O)CCc2ccccc2)cccc1)CCC |
| SPLASH | splash10-00di-9100000000-f182cb935c26fd2498f1 |
| Source of Spectrum | D8-327-695-11 |
| Wiley ID | 1515474 |